N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride

C9H14ClF3N4O2S — CID 120707592

IUPACN-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNC1)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C9H13F3N4O2S.ClH/c10-9(11,12)6-16-5-8(4-14-16)19(17,18)15-7-1-2-13-3-7;/h4-5,7,13,15H,1-3,6H2;1H
InChIKeyWGZALDCTHQGOKD-UHFFFAOYSA-N
MW334.75 g/mol
LogP0.51
Rot. Bonds4

About N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride

N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride (PubChem CID 120707592) has the molecular formula C9H14ClF3N4O2S and a molecular weight of 334.75 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
PubChem CID120707592
Molecular FormulaC9H14ClF3N4O2S
Molecular Weight334.75 g/mol
Exact Mass334.05
IUPAC NameN-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNC1)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C9H13F3N4O2S.ClH/c10-9(11,12)6-16-5-8(4-14-16)19(17,18)15-7-1-2-13-3-7;/h4-5,7,13,15H,1-3,6H2;1H
InChIKeyWGZALDCTHQGOKD-UHFFFAOYSA-N
XLogP0.51
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.75
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2-difluoroethyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride
CID 120707652
1-(2,2-difluoroethyl)-N-piperidin-3-ylpyrazole-4-sulfonamide;hydrochloride
CID 120707191
N-methyl-N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 120709860
N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride
CID 120707588
(3aR,6aS)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120714040
N-(2-amino-1-cyclopropylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120711275
1-(2,2,2-trifluoroethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-sulfonamide
CID 136532485
N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 79684944
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120722212
4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967100
N-pyrrolidin-3-yl-1,2-oxazole-4-sulfonamide
CID 130747992
N-[3-(methylamino)propyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120707265

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride (CID 120707592) is N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCNC1)c1cnn(CC(F)(F)F)c1.
What is the InChIKey of N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is WGZALDCTHQGOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2S.ClH/c10-9(11,12)6-16-5-8(4-14-16)19(17,18)15-7-1-2-13-3-7;/h4-5,7,13,15H,1-3,6H2;1H.
What are the key properties of N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride?
N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 334.75 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120707592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).